N-(3-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-bromophenyl)propanamide CAS Name: N-(3-bromophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(3-bromophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-bromophenyl)propionamide Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C18H16BrN3O2S2/c1-3-8-22-17(24)14-7-9-25-16(14)21-18(22)26-11(2)15(23)20-13-6-4-5-12(19)10-13/h3-7,9-11H,1,8H2,2H3,(H,20,23)